2-[4-[2-(2-cyanoethyl)-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]piperidin-1-yl]-N,N-dimethylacetamide

C29H32FN7OS — CID 90420271

About 2-[4-[2-(2-cyanoethyl)-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]piperidin-1-yl]-N,N-dimethylacetamide

2-[4-[2-(2-cyanoethyl)-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]piperidin-1-yl]-N,N-dimethylacetamide (PubChem CID 90420271) has the molecular formula C29H32FN7OS and a molecular weight of 545.69 g/mol. Its IUPAC name is 2-[4-[2-(2-cyanoethyl)-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]piperidin-1-yl]-N,N-dimethylacetamide.

Molecular Properties

• Compound Name: 2-[4-[2-(2-cyanoethyl)-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]piperidin-1-yl]-N,N-dimethylacetamide
• PubChem CID: 90420271
• Molecular Formula: C29H32FN7OS
• Molecular Weight: 545.69 g/mol
• Exact Mass: 545.24
• IUPAC Name: 2-[4-[2-(2-cyanoethyl)-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]piperidin-1-yl]-N,N-dimethylacetamide
• SMILES: CN(C)C(=O)CN1CCC(c2ccc3nc(CCC#N)c(N(C)c4nc(-c5ccc(F)cc5)cs4)n3c2)CC1
• InChI: InChI=1S/C29H32FN7OS/c1-34(2)27(38)18-36-15-12-20(13-16-36)22-8-11-26-32-24(5-4-14-31)28(37(26)17-22)35(3)29-33-25(19-39-29)21-6-9-23(30)10-7-21/h6-11,17,19-20H,4-5,12-13,15-16,18H2,1-3H3
• InChIKey: HIMYRXPWOHYYSO-UHFFFAOYSA-N
• XLogP: 5.09
• TPSA: 80.77 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	545.69
LogP ≤ 5	5.09
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(2-cyanoethyl)-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]piperidin-1-yl]-N,N-dimethylacetamide?

The IUPAC name of 2-[4-[2-(2-cyanoethyl)-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]piperidin-1-yl]-N,N-dimethylacetamide (CID 90420271) is 2-[4-[2-(2-cyanoethyl)-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]piperidin-1-yl]-N,N-dimethylacetamide.

What is the SMILES notation for 2-[4-[2-(2-cyanoethyl)-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]piperidin-1-yl]-N,N-dimethylacetamide?

The canonical SMILES for 2-[4-[2-(2-cyanoethyl)-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]piperidin-1-yl]-N,N-dimethylacetamide is CN(C)C(=O)CN1CCC(c2ccc3nc(CCC#N)c(N(C)c4nc(-c5ccc(F)cc5)cs4)n3c2)CC1.

What is the InChIKey of 2-[4-[2-(2-cyanoethyl)-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]piperidin-1-yl]-N,N-dimethylacetamide?

The InChIKey is HIMYRXPWOHYYSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32FN7OS/c1-34(2)27(38)18-36-15-12-20(13-16-36)22-8-11-26-32-24(5-4-14-31)28(37(26)17-22)35(3)29-33-25(19-39-29)21-6-9-23(30)10-7-21/h6-11,17,19-20H,4-5,12-13,15-16,18H2,1-3H3.

What are the key properties of 2-[4-[2-(2-cyanoethyl)-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]piperidin-1-yl]-N,N-dimethylacetamide?

2-[4-[2-(2-cyanoethyl)-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]piperidin-1-yl]-N,N-dimethylacetamide has a molecular weight of 545.69 g/mol, XLogP of 5.09, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[2-(2-cyanoethyl)-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]piperidin-1-yl]-N,N-dimethylacetamide is sourced from PubChem (CID 90420271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).